3-Furancarbothioamide supplier

Name
3-Furancarbothioamide
EINECS
CAS No. 59918-68-2
Density 1.287 g/cm³
Solubility
Melting Point 74 °C
Formula C₅H₅NOS
Boiling Point 219.6 °C at 760 mmHg
Molecular Weight 127.167
Flash Point 86.6 °C
Transport Information
Appearance
Safety 26-36/37-39
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms Furan-3-carbothioamide;
PSA 71.25000
LogP 1.61410

3-Furancarbothioamide Specification

The 3-Furancarbothioamide, with the CAS registry number 59918-68-2, is also known as Furan-3-carbothioamide. It belongs to the product category of Thioamide. This chemical's molecular formula is C₅H₅NOS and molecular weight is 127.16.

Physical properties about 3-Furancarbothioamide are: (1)ACD/LogP: 0.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 53.86; (8)ACD/KOC (pH 7.4): 53.86; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.47 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 34.74 cm³; (15)Molar Volume: 98.7 cm³; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.287 g/cm³; (18)Flash Point: 86.6 °C; (19)Enthalpy of Vaporization: 45.6 kJ/mol; (20)Boiling Point: 219.6 °C at 760 mmHg; (21)Vapour Pressure: 0.118 mmHg at 25 °C; (22)Melting Point: 74 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)c1ccoc1
(2) InChI: InChI=1/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
(3) InChIKey: FHPWEMZQNZDEMS-UHFFFAOYAM

Product Name

3-Furancarbothioamide

3-Furancarbothioamide Specification

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